N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H20N2O3S — CID 99960412

IUPACN-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H](CO)Cc2ccsc2)no1
InChIInChI=1S/C15H20N2O3S/c1-10(2)14-6-13(17-20-14)15(19)16-7-12(8-18)5-11-3-4-21-9-11/h3-4,6,9-10,12,18H,5,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyIHNVUCHIEJSBAG-LBPRGKRZSA-N
MW308.40 g/mol
LogP2.44
Rot. Bonds7

About N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 99960412) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID99960412
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H](CO)Cc2ccsc2)no1
InChIInChI=1S/C15H20N2O3S/c1-10(2)14-6-13(17-20-14)15(19)16-7-12(8-18)5-11-3-4-21-9-11/h3-4,6,9-10,12,18H,5,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyIHNVUCHIEJSBAG-LBPRGKRZSA-N
XLogP2.44
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
CID 125447855
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
N-[2-oxo-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52518637
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 98350764
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
CID 95718721

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 99960412) is N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC[C@@H](CO)Cc2ccsc2)no1.
What is the InChIKey of N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IHNVUCHIEJSBAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)14-6-13(17-20-14)15(19)16-7-12(8-18)5-11-3-4-21-9-11/h3-4,6,9-10,12,18H,5,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99960412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).